Anthraquinone

Anthraquinone

SCHEMBL11078992

O=C1CC=Cc2nc3ccccc3cc21.O=C1CC=Cc2nc3ccccc3cc21.O=C1c2ccccc2C(=O)c2ccccc21

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
MAPT P10636 6/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
CYP3A4 P08684 3/20 0.39
KDM4E B2RXH2 3/20 0.39
TP53 P04637 3/20 0.39
PKM P14618 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPK1 P28482 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 5/20 0.37
AHR P35869 1/20 0.37
APEX1 P27695 1/20 0.36
GLA P06280 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Anthraquinone SCHEMBL2778406 1.00 NPC1 (0.54) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL11519732 0.94 NPC1 (0.44) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL19291 0.94 NPC1 (0.44) NPC1RAB9AMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL27346450 0.92 NPC1 (0.42) NPC1RAB9AMAPTMEN1KMT2A
Methane SCHEMBL11523432 0.92 NPC1 (0.42) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6890133 0.92 NPC1 (0.42) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL4674985 0.91 NPC1 (0.41) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL27707876 0.90 NPC1 (0.50) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL8949073 0.88 RAB9A (0.43) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL7094873 0.87 RAB9A (0.39) NPC1RAB9AMAPTMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4451398-A Dyes containing imidazolymethylene groups BASF AKTIENGESELLSCHAFT (DE) 1984-05-29 US disclosed